2-[2-[(3-methyl-1,2-oxazol-5-yl)carbamoylamino]-2-oxoethoxy]acetic acid

C9H11N3O6 — CID 61329241

IUPAC2-[2-[(3-methyl-1,2-oxazol-5-yl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESCc1cc(NC(=O)NC(=O)COCC(=O)O)on1
InChIInChI=1S/C9H11N3O6/c1-5-2-7(18-12-5)11-9(16)10-6(13)3-17-4-8(14)15/h2H,3-4H2,1H3,(H,14,15)(H2,10,11,13,16)
InChIKeyBWMPTIIKMQQIDH-UHFFFAOYSA-N
MW257.20 g/mol
LogP-0.27
Rot. Bonds5

About 2-[2-[(3-methyl-1,2-oxazol-5-yl)carbamoylamino]-2-oxoethoxy]acetic acid

2-[2-[(3-methyl-1,2-oxazol-5-yl)carbamoylamino]-2-oxoethoxy]acetic acid (PubChem CID 61329241) has the molecular formula C9H11N3O6 and a molecular weight of 257.20 g/mol. Its IUPAC name is 2-[2-[(3-methyl-1,2-oxazol-5-yl)carbamoylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-methyl-1,2-oxazol-5-yl)carbamoylamino]-2-oxoethoxy]acetic acid
PubChem CID61329241
Molecular FormulaC9H11N3O6
Molecular Weight257.20 g/mol
Exact Mass257.06
IUPAC Name2-[2-[(3-methyl-1,2-oxazol-5-yl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESCc1cc(NC(=O)NC(=O)COCC(=O)O)on1
InChIInChI=1S/C9H11N3O6/c1-5-2-7(18-12-5)11-9(16)10-6(13)3-17-4-8(14)15/h2H,3-4H2,1H3,(H,14,15)(H2,10,11,13,16)
InChIKeyBWMPTIIKMQQIDH-UHFFFAOYSA-N
XLogP-0.27
TPSA130.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-hydroxyethylamino)-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 90203017
2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoacetic acid
CID 43444914
2-[2-[(4-methoxy-2-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 62871537
2-[1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 65486610
N-(3-methyl-1,2-oxazol-5-yl)carbamate
CID 22936595
2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328482
2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61326948
1-(3-methyl-1,2-oxazol-5-yl)-3-(4-phenylmethoxyphenyl)urea
CID 59381123
2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328874
2-[2-[(2-bromo-5-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 107636384
(E)-4-[(3-methyl-1,2-oxazol-5-yl)amino]-4-oxobut-2-enoic acid
CID 65486420
2-hydroxy-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 131132198

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methyl-1,2-oxazol-5-yl)carbamoylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(3-methyl-1,2-oxazol-5-yl)carbamoylamino]-2-oxoethoxy]acetic acid (CID 61329241) is 2-[2-[(3-methyl-1,2-oxazol-5-yl)carbamoylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-methyl-1,2-oxazol-5-yl)carbamoylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-methyl-1,2-oxazol-5-yl)carbamoylamino]-2-oxoethoxy]acetic acid is Cc1cc(NC(=O)NC(=O)COCC(=O)O)on1.
What is the InChIKey of 2-[2-[(3-methyl-1,2-oxazol-5-yl)carbamoylamino]-2-oxoethoxy]acetic acid?
The InChIKey is BWMPTIIKMQQIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O6/c1-5-2-7(18-12-5)11-9(16)10-6(13)3-17-4-8(14)15/h2H,3-4H2,1H3,(H,14,15)(H2,10,11,13,16).
What are the key properties of 2-[2-[(3-methyl-1,2-oxazol-5-yl)carbamoylamino]-2-oxoethoxy]acetic acid?
2-[2-[(3-methyl-1,2-oxazol-5-yl)carbamoylamino]-2-oxoethoxy]acetic acid has a molecular weight of 257.20 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methyl-1,2-oxazol-5-yl)carbamoylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).